SCHEMBL19975079

SCHEMBL19975079

CC(OCC(C)(C)C)C(O)C(=O)NCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
PTGIR P43119 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19974856 0.83 KMT2A (0.40) KMT2ATDP1MEN1ALDH1A1PTGIR
SCHEMBL19975298 0.78 EPHX1 (0.43) KMT2ATDP1CTSKMEN1ALDH1A1
SCHEMBL19975024 0.76 KMT2A (0.36) KMT2ATDP1CNR2
SCHEMBL19975308 0.75 KMT2A (0.39) KMT2ATDP1MEN1KCNH2CACNA1I
SCHEMBL19975306 0.75 KMT2A (0.41) KMT2ATDP1ATMMEN1KCNH2
SCHEMBL19975518 0.75 KMT2A (0.44) KMT2ATDP1ATMCTSSCTSK
SCHEMBL19975124 0.73 SMN1; SMN2 (0.41) KMT2ATDP1MEN1ALDH1A1CYP2D6
SCHEMBL19974699 0.73 TDP1 (0.48) KMT2ATDP1CYP2D6TSHR
SCHEMBL19975232 0.72 KMT2A (0.40) KMT2ATDP1ATMMEN1ALDH1A1
SCHEMBL28316928 0.71 TDP1 (0.50) KMT2ATDP1MEN1ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885TDP1 1016/4885ATM 4579/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885TDP1 911/4885ATM 4543/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885TDP1 1016/4885ATM 4579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.